4-[[2-oxidanylidene-2-(3-oxidanylidenepiperazin-1-yl)ethyl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[2-oxidanylidene-2-(3-oxidanylidenepiperazin-1-yl)ethyl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[2-oxo-2-(3-oxo-1-piperazinyl)ethyl]thio]methyl]benzonitrile IUPAC Name: 4-[[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[2-keto-2-(3-ketopiperazino)ethyl]thio]methyl]benzonitrile Formula: C14H15N3O2S MolecularWeight: 289.3528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C(=O)CSCC2=CC=C(C=C2)C#N

Isomeric SMILES

C1CN(CC(=O)N1)C(=O)CSCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H15N3O2S/c15-7-11-1-3-12(4-2-11)9-20-10-14(19)17-6-5-16-13(18)8-17/h1-4H,5-6,8-10H2,(H,16,18)